Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/142974
Title: Monitoring of singlet fission via two-dimensional photon-echo and transient-absorption spectroscopy : simulations by multiple Davydov trial states
Authors: Sun, Kewei
Huang, Zhongkai
Gelin, Maxim F.
Chen, Lipeng
Zhao, Yang
Keywords: Engineering::Materials
Issue Date: 2019
Source: Sun, K., Huang, Z., Gelin, M. F., Chen, L., & Zhao, Y. (2019). Monitoring of singlet fission via two-dimensional photon-echo and transient-absorption spectroscopy : simulations by multiple Davydov trial states. The Journal of Chemical Physics, 151(11), 114102-. doi:10.1063/1.5109251
Journal: The Journal of Chemical Physics
Abstract: Employing the Dirac-Frenkel time dependent variational method, the nonlinear spectra monitoring the singlet fission process mediated by a conical intersection (CI) of the two lowest excited electronic states are investigated for different optical dephasings. The simulated two-dimensional spectra at different population times follow ultrafast population transfer through the CI and exhibit spectral features related to the tuning mode. The anticorrelated oscillations of cross peaks located at symmetric positions with respect to the main diagonal are clearly identified after the stimulated-emission contribution quenches. The simulated transient absorption signals show a fast decay of the first excited singlet state and exhibit multiple peaks revealing the tuning mode. These findings could be regarded as signatures of the CI in the singlet fission process.
URI: https://hdl.handle.net/10356/142974
ISSN: ‎0021-9606
DOI: 10.1063/1.5109251
Rights: © 2019 Author(s). All rights reserved. This paper was published by AIP Publishing in The Journal of Chemical Physics and is made available with permission of Author(s).
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:MSE Journal Articles

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